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CAS 1781834-93-2 FIPI hydrochloride molecular structure lightbox
CAS RN: 1781834-93-2

FIPI hydrochloride

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250802 100mg In stock Inquiry
Batchno.20250908 10mg In stock Inquiry
Batchno.20260408 25mg In stock Inquiry
Batchno.20251111 50mg In stock Inquiry
Batchno.20250612 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251101 10mg / 25mg / 50mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1781834-93-2
  • Purity/Analytical Methods: >99.0%
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1781834-93-2 / 5-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide;hydrochloride

Standard CAS: 1781834-93-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1781834-93-2
Multi CAS
No
Molecular Formula
C23H25ClFN5O2
Molecular Weight
457.900000
Exact Mass
457.168081
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC5=C(N4)C=CC(=C5)F.Cl
InChI
InChI=1S/C23H24FN5O2.ClH/c24-16-5-6-18-15(13-16)14-20(26-18)22(30)25-9-12-28-10-7-17(8-11-28)29-21-4-2-1-3-19(21)27-23(29)31;/h1-6,13-14,17,26H,7-12H2,(H,25,30)(H,27,31);1H
InChIKey
BNMQCDOCYPGJJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
125.11
TPSA
85.92

LogP / Solubility

WLOGP
3.44
MLOGP
3.06
XLogP3
3.44
Consensus LogP
3.31
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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